4112-3066 Screening compound: 3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate

4112-3066 Screening compound: 3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate
4112-3066 Screening compound: 3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-3066
3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4112-3066

Molecular Formula

C25H14BrNO5 (C25 H14 BrNO5)

Compound Name

3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate

IUPAC name

3-(naphthalen-2-yloxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate

SMILES

O=C(c1cc(Br)cnc1)Oc(cc1)cc(OC=C2Oc3cc4ccccc4cc3)c1C2=O

InChI

InChI=1S/C25H14BrNO5/c26-18-9-17(12-27-13-18)25(29)32-20-7-8-21-22(11-20)30-14-23(24(21)28)31-19-6-5-15-3-1-2-4-16(15)10-19/h1-14H

InChI Key

BFZHTVPRXCNENQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02362403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.043

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-5.50

Polar Surface Area

57.284

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4112-3066 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4112-3066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-3066?
Check Price and Availability of 4112-3066, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4112-3066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-3066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-3066
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4112-3066 available by request